CID 102706046

Tert-butyl 5-amino-2,4-dimethylbenzoate

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC1=CC(=C(C=C1C(=O)OC(C)(C)C)N)C
InChI
InChI=1S/C13H19NO2/c1-8-6-9(2)11(14)7-10(8)12(15)16-13(3,4)5/h6-7H,14H2,1-5H3
InChIKey
OBFZXACFOLDJEY-UHFFFAOYSA-N
Compound name
tert-butyl 5-amino-2,4-dimethylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 150.9
[M+Na]+ 244.13081 159.1
[M-H]- 220.13431 154.8
[M+NH4]+ 239.17541 169.8
[M+K]+ 260.10475 157.4
[M+H-H2O]+ 204.13885 145.5
[M+HCOO]- 266.13979 172.6
[M+CH3COO]- 280.15544 194.2
[M+Na-2H]- 242.11626 153.7
[M]+ 221.14104 152.6
[M]- 221.14214 152.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.